(5's,7's)-5',7'-dimethyl-1,2-dihydro-1',3'-diazaspiro[indole-3,2'-tricyclo[3.3.1.13,7]decane]-2,6'-dione

• ChemBase编号: 185552
• 分子式: C17H19N3O2
• 平均质量: 297.35166
• 单一同位素质量: 297.14772686
• SMILES: C12(N3C[C@@]4(C(=O)[C@](C3)(CN1C4)C)C)C(=O)Nc1c2cccc1
• Canonical SMILES: O=C1Nc2c(C31N1C[C@]4(CN3C[C@@](C1)(C4=O)C)C)cccc2
• InChI: InChI=1S/C17H19N3O2/c1-15-7-19-9-16(2,13(15)21)10-20(8-15)17(19)11-5-3-4-6-12(11)18-14(17)22/h3-6H,7-10H2,1-2H3,(H,18,22)/t15-,16+,17?
• InChIKey: VIMRNDIPEUBCTE-SJPCQFCGSA-N

名称和登记号

名称

• IUPAC标准名: (5's,7's)-5',7'-dimethyl-1,2-dihydro-1',3'-diazaspiro[indole-3,2'-tricyclo[3.3.1.1^3,^7]decane]-2,6'-dione
• IUPAC传统名: (5'R,7'S)-5',7'-dimethyl-1H-1',3'-diazaspiro[indole-3,2'-tricyclo[3.3.1.1^3,^7]decane]-2,6'-dione

登记号

• PubChem SID: 164241462
• PubChem CID: 742444

理论计算性质

• Acid pKa: 11.9098625
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 2.3772438
• LogD (pH = 7.4): 2.3932455
• Log P: 2.3934662
• 摩尔折射率: 83.5723 cm^3
• 极化性: 31.98658 Å^3
• 极化表面积: 52.65 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds